SCHEMBL8310907

SCHEMBL8310907

CCN1C(=O)CC(C)(C)c2cc(N)ccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.55
RXRA P19793 15/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP19A1 P11511 2/20 0.37
PGR P06401 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20335480 0.89 ATAD2 (0.43) ATAD2RXRAHDAC1HDAC6CYP19A1
SCHEMBL2061101 0.86 ATAD2 (0.59) ATAD2RXRAHDAC1HDAC6CYP19A1
SCHEMBL18421516 0.83 RXRA (0.44) ATAD2RXRAHDAC1HDAC6
SCHEMBL27376724 0.82 HDAC1 (0.52) HDAC1HDAC6PGR
SCHEMBL5189901 0.82 RXRA (0.45) ATAD2RXRAHDAC1HDAC6
SCHEMBL18421544 0.81 BRD4 (0.42) ATAD2RXRAHDAC1HDAC6
SCHEMBL9593284 0.80 CYP19A1 (0.46) ATAD2RXRAHDAC1HDAC6CYP19A1
SCHEMBL8310714 0.80 CYP1A2 (0.43) RXRAHDAC1HDAC6
SCHEMBL1368159 0.77 ATAD2 (0.48) ATAD2CYP19A1PGR
SCHEMBL7709931 0.77 RARA (0.56) ATAD2RXRAHDAC1HDAC6CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933351-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
US-5770382-A RETINOIC ACID AND RETINOID X RECEPTOR AGONISTS; TREATINGSKIN, EYE, BRAIN, AND CARDIOVASCULAR DISORDERS; CANCER LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770378-A A VITAMINE A METABOLITE, POTENT DRUGS TREATING SKIN DISEASES, CANCER, EYE DISEASES, CARDIOVASCULAR DISORDERS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770383-A ACTIVATE RETINOID RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
WO-1996020914-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO disclosed